mirror of
https://github.com/pfloos/quack
synced 2025-01-12 05:58:26 +01:00
56 lines
1.6 KiB
Fortran
56 lines
1.6 KiB
Fortran
|
double precision function SigmaC_GT(p,w,eta,nBas,nC,nO,nV,nR,nOO,nVV,e,Omega1,rho1,Omega2,rho2)
|
||
|
|
|
||
|
|
! Compute diagonal of the correlation part of the self-energy
|
||
|
|
|
||
|
|
implicit none
|
||
|
|
include 'parameters.h'
|
||
|
|
|
||
|
|
! Input variables
|
||
|
|
|
||
|
|
integer,intent(in) :: p
|
||
|
|
double precision,intent(in) :: w
|
||
|
|
double precision,intent(in) :: eta
|
||
|
|
integer,intent(in) :: nBas
|
||
|
|
integer,intent(in) :: nC
|
||
|
|
integer,intent(in) :: nO
|
||
|
|
integer,intent(in) :: nV
|
||
|
|
integer,intent(in) :: nR
|
||
|
|
integer,intent(in) :: nOO,nVV
|
||
|
|
double precision,intent(in) :: e(nBas)
|
||
|
|
double precision,intent(in) :: Omega1(nVV)
|
||
|
|
double precision,intent(in) :: rho1(nBas,nBas,nVV)
|
||
|
|
double precision,intent(in) :: Omega2(nOO)
|
||
|
|
double precision,intent(in) :: rho2(nBas,nBas,nOO)
|
||
|
|
|
||
|
|
! Local variables
|
||
|
|
|
||
|
|
integer :: i,a,cd,kl
|
||
|
|
double precision :: eps
|
||
|
|
|
||
|
|
! Initialize
|
||
|
|
|
||
|
|
SigmaC_GT = 0d0
|
||
|
|
|
||
|
|
!----------------------------------------------
|
||
|
|
! Occupied part of the T-matrix self-energy
|
||
|
|
!----------------------------------------------
|
||
|
|
do i=nC+1,nO
|
||
|
|
do cd=1,nVV
|
||
|
|
eps = w + e(i) - Omega1(cd)
|
||
|
|
SigmaC_GT = SigmaC_GT + rho1(p,i,cd)**2*eps/(eps**2 + eta**2)
|
||
|
|
enddo
|
||
|
|
enddo
|
||
|
|
write (*,*) SigmaC_GT
|
||
|
|
!----------------------------------------------
|
||
|
|
! Virtual part of the T-matrix self-energy
|
||
|
|
!----------------------------------------------
|
||
|
|
do a=nO+1,nBas-nR
|
||
|
|
do kl=1,nOO
|
||
|
|
eps = w + e(a) - Omega2(kl)
|
||
|
|
SigmaC_GT = SigmaC_GT + rho2(p,a,kl)**2*eps/(eps**2 + eta**2)
|
||
|
|
enddo
|
||
|
|
enddo
|
||
|
|
write (*,*) SigmaC_GT
|
||
|
|
|
||
|
|
end function SigmaC_GT
|